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Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
TL;DR: Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate (CAS 672896-68-3) is a chemical compound with molecular formula C13H18N4O5S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: UPCMLD0ENAT5831710:001, BAS 05968862, AB00674008-01, AB00674008-02, F1342-0012
| Molecular Formula | C13H18N4O5S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | -0.2751 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.0998 |
| Heavy Atoms | 23 |
| Complexity | 822.1048 |
Chemical Identifiers
| CAS Number | 672896-68-3 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C |
Product Overview
Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate (CAS 672896-68-3), with molecular formula C13H18N4O5S and molecular weight 342.10 g/mol. IUPAC: methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Property Insights of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
The XLogP value of -0.2751 indicates that Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
The CAS number of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is 672896-68-3.
What is the molecular formula of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
The molecular formula of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is C13H18N4O5S.
What is the molecular weight of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
The molecular weight of Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate is 342.10 g/mol.
Where can I buy Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
You can request a quote for Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.